RMC

Reverse Monte Carlo modelling

RMC is a general method for modelling the structures of disordered materials - liquids, glasses, amorphous materials, disordered crystals - based on experimental data from neutron diffraction, X-ray diffraction and EXAFS. Constraints based on chemical information, NMR, EPR etc can be applied to models. RMC can also be used to model magnetic structures. The development of RMC is suported by the RTD network SCANS under contract HPRI-CT-1999-50013.

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Various RMC programs are available through the NFL ftp server. The use of these programmes is only permitted for non-commercial applications. All use should be acknowledged in a reasonable way when the results of research using RMC programs are published, and this Web page should be referenced. RMC programs under development may also be available for collaborative studies. Contact details are given.

MCGR

An inverse method for determining the radial distribution function from the structure factor.

RMCA

Modelling the structure of liquids, glasses and disordered crystals.

RMCSPIN

Modelling the magnetic structure of glasses.
(Program available but not supported.)

RMCMOL

Modelling the structure of systems containing rigid molecules.
(Program available but not recommended.)

RMCPOW

Structural refinement of crystalline materials based on powder diffraction data, including modelling of diffuse and magnetic scattering.

RMCP

A package of useful additional programs to be used in conjunction with RMC modelling.

RMCX

RMC modelling of diffuse scattering data from single crystals.
(Program available but not supported.)

FTP

FTP server for RMC programs.

References

Bibliography of papers related to RMC.

RMC programs from other sites:

IURMCA

RMCA modified for NMR data

DISCUS

Single crystal diffuse scattering with an RMC option

RMCAW95

 RMCA for Windows 95